(4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one

C25H32N2O2 — CID 127021145

IUPAC(4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one
SMILESC[C@@H](CC(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C25H32N2O2/c1-21(26-16-18-29-19-17-26)20-25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3/t21-/m0/s1
InChIKeyXHKXWINHANRSNT-NRFANRHFSA-N
MW392.54 g/mol
LogP3.71
Rot. Bonds6

About (4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one

(4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one (PubChem CID 127021145) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is (4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name(4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one
PubChem CID127021145
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name(4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one
SMILESC[C@@H](CC(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)N1CCOCC1
InChIInChI=1S/C25H32N2O2/c1-21(26-16-18-29-19-17-26)20-25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3/t21-/m0/s1
InChIKeyXHKXWINHANRSNT-NRFANRHFSA-N
XLogP3.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of (4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one (CID 127021145) is (4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for (4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for (4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one is C[C@@H](CC(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)N1CCOCC1.
What is the InChIKey of (4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one?
The InChIKey is XHKXWINHANRSNT-NRFANRHFSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-21(26-16-18-29-19-17-26)20-25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3/t21-/m0/s1.
What are the key properties of (4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one?
(4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one has a molecular weight of 392.54 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-morpholin-4-yl-2,2-diphenyl-1-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 127021145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).